2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

C16H16FNO2S — CID 107232624

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1ccc(CO)cc1
InChIInChI=1S/C16H16FNO2S/c17-14-5-7-15(8-6-14)21-11-16(20)18-9-12-1-3-13(10-19)4-2-12/h1-8,19H,9-11H2,(H,18,20)
InChIKeyGLSJLTYVFPTZBD-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.73
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 107232624) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID107232624
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1ccc(CO)cc1
InChIInChI=1S/C16H16FNO2S/c17-14-5-7-15(8-6-14)21-11-16(20)18-9-12-1-3-13(10-19)4-2-12/h1-8,19H,9-11H2,(H,18,20)
InChIKeyGLSJLTYVFPTZBD-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[[2-[2-(hydroxymethyl)phenyl]sulfinylphenyl]methyl]acetamide
CID 44531821
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-(phenylthio)propanamide
CID 56765450
N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-2-((4-fluorophenyl)thio)acetamide
CID 71781824
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774
Amino-[4-[2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]ethyl]phenyl]methanediolate
CID 59286470
N-[2-[4-[amino(dihydroxy)methyl]phenyl]ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 59286471
2,2,2-trifluoro-N-[3-hydroxy-3-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]propyl]acetamide
CID 87519319
N-[3-[3-(cyclohexylmethylsulfanyl)phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 89079255
N-[(3R)-3-[3-(cyclohexylmethylsulfanyl)phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 89079257
1,1,1,3,3,3-hexafluoro-2-[4-[[3-[(R)-(4-fluorophenyl)sulfinyl]propylamino]methyl]phenyl]propan-2-ol
CID 134373691
[2-[4-Fluoro-2-(hydroxymethyl)phenyl]sulfanyl-3-methylphenyl]methylcarbamic acid
CID 151674752
2-phenylsulfanyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 24598997

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide (CID 107232624) is 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide is O=C(CSc1ccc(F)cc1)NCc1ccc(CO)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is GLSJLTYVFPTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-14-5-7-15(8-6-14)21-11-16(20)18-9-12-1-3-13(10-19)4-2-12/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 107232624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).